4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole

C14H13N3S — CID 2768051

IUPAC4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1-c1ccnn1C
InChIInChI=1S/C14H13N3S/c1-10-13(12-8-9-15-17(12)2)18-14(16-10)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyQKKNLCDXPBSYQV-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.52
Rot. Bonds2

About 4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole

4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole (PubChem CID 2768051) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole
PubChem CID2768051
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1-c1ccnn1C
InChIInChI=1S/C14H13N3S/c1-10-13(12-8-9-15-17(12)2)18-14(16-10)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyQKKNLCDXPBSYQV-UHFFFAOYSA-N
XLogP3.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole?
The IUPAC name of 4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole (CID 2768051) is 4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole is Cc1nc(-c2ccccc2)sc1-c1ccnn1C.
What is the InChIKey of 4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole?
The InChIKey is QKKNLCDXPBSYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-13(12-8-9-15-17(12)2)18-14(16-10)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of 4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole?
4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole has a molecular weight of 255.35 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 2768051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).